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CHEBI:187501 - Adunctin B

ChEBI IDCHEBI:187501
ChEBI NameAdunctin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O4
Net Charge0
Average Mass406.522
Monoisotopic Mass406.21441
SMILES[H][C@@]12C[C@@H](C(C)C)C=C[C@]1(C)Oc1c(C(=O)CCc3ccccc3)c(O)cc(OC)c12
InChIInChI=1S/C26H30O4/c1-16(2)18-12-13-26(3)19(14-18)23-22(29-4)15-21(28)24(25(23)30-26)20(27)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,18-19,28H,10-11,14H2,1-4H3/t18-,19-,26-/m0/s1
InChIKeyHQPBWCKPGXUXIH-DGUDUIIESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Adunctin B (CHEBI:187501) is a chalcones (CHEBI:23086)
IUPAC Name 
1-[(5aS,8S,9aS)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzouran-4-yl]-3-phenylpropan-1-one
Manual XrefsDatabases
LMPK12120506LIPID MAPS
24846084ChemSpider